2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide

C14H23N3 — CID 81279169

IUPAC2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(CC)CC)cc1C
InChIInChI=1S/C14H23N3/c1-5-11(6-2)17(4)12-7-8-13(14(15)16)10(3)9-12/h7-9,11H,5-6H2,1-4H3,(H3,15,16)
InChIKeyVBPKCYHGJUWTRV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.90
Rot. Bonds5

About 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide

2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide (PubChem CID 81279169) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
PubChem CID81279169
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(CC)CC)cc1C
InChIInChI=1S/C14H23N3/c1-5-11(6-2)17(4)12-7-8-13(14(15)16)10(3)9-12/h7-9,11H,5-6H2,1-4H3,(H3,15,16)
InChIKeyVBPKCYHGJUWTRV-UHFFFAOYSA-N
XLogP2.90
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974
2-methyl-4-[methyl(1-methylsulfanylbutan-2-yl)amino]benzenecarbothioamide
CID 112659771
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
CID 81279187
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232
2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
2-fluoro-4-[methyl(pentan-3-yl)amino]benzenecarbothioamide
CID 113295825
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide (CID 81279169) is 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C(CC)CC)cc1C.
What is the InChIKey of 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
The InChIKey is VBPKCYHGJUWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-11(6-2)17(4)12-7-8-13(14(15)16)10(3)9-12/h7-9,11H,5-6H2,1-4H3,(H3,15,16).
What are the key properties of 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 81279169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).